SCHEMBL9800616

SCHEMBL9800616

O=C(c1ccccc1)C1(c2ccccc2)OCC=CCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
F2 P00734 1/20 0.36
HDAC4 P56524 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
TSHR P16473 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AKR1C1 Q04828 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1551316 0.85 LMNA (0.40) LMNACA2CA4F2MAPT
SCHEMBL6204352 0.82 AKR1C1 (0.39) LMNAF2HDAC4MAPTNPC1
SCHEMBL9859980 0.79 LMNA (0.39) LMNAF2MAPTNPC1MAPK1
SCHEMBL10817611 0.79 ALDH1A1 (0.39) LMNAMAPTNPC1MAPK1RAB9A
SCHEMBL5496475 0.79 LMNA (0.43) LMNACA2CA4F2MAPT
SCHEMBL7587882 0.78 HDAC4 (0.40) LMNACA2CA4F2HDAC4
SCHEMBL6896429 0.76 LMNA (0.36) LMNACA2CA4F2MAPT
SCHEMBL11490512 0.76 NPSR1 (0.37) LMNAMAPTNPC1MAPK1RAB9A
SCHEMBL18790793 0.75 CES2 (0.46) LMNAMAPTNPC1MAPK1RAB9A
SCHEMBL22872468 0.75 CES2 (0.46) LMNAMAPTNPC1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269573-B1 LIQUID PHOTOINITIATING MIXTURE CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0221010-B1 PHOTO-INITIATOR SYSTEMS FOR FREE-RADICAL POLYMERISATIONS CIBA-GEIGY AG (CH) 1989-04-26 EP disclosed
EP-0269573-A2 Liquid photoinitiating mixture CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed
EP-0100862-B1 2-ACYL-DIHYDRO-1,3-DIOXEPINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHOTOINITIATORS CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0221010-A1 Photo-initiator systems for free-radical polymerisations CIBA-GEIGY AG (CH) 1987-05-06 EP disclosed
US-4485249-A 2-Acylated dihydro-1,3-dioxepins, process for the production thereof and use thereof as photo-initiators CIBA-GEIGY CORPORATION (US) 1984-11-27 US disclosed
EP-0100862-A1 2-Acyl-dihydro-1,3-dioxepines, process for their preparation and their use as photoinitiators CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed